SCHEMBL15210403

SCHEMBL15210403

Cn1cc(-c2nccn3nc(Nc4ccc(S(=O)(=O)O)cn4)nc23)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
EIF2AK4 Q9P2K8 1/20 0.53
CDK2 P24941 9/20 0.40
CDK5 Q00535 7/20 0.40
CDK5R1 Q15078 7/20 0.40
CCNB2 O95067 6/20 0.40
CDK1 P06493 6/20 0.40
CCNB1 P14635 6/20 0.40
CCNB3 Q8WWL7 6/20 0.40
CCNE2 O96020 6/20 0.40
CCNE1 P24864 6/20 0.40
CCNT1 O60563 5/20 0.40
CDK9 P50750 5/20 0.40
JAK2 O60674 4/20 0.38
PTK2 Q05397 4/20 0.38
JAK3 P52333 3/20 0.37
AURKA O14965 1/20 0.37
CCNA2 P20248 3/20 0.36
TTK P33981 2/20 0.36
WNT1 P04628 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15210956 0.91 SYK (0.51) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL19983170 0.83 SYK (0.49) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL19983168 0.81 SYK (0.54) SYKEIF2AK4CDK2CDK9CCNA2
SCHEMBL19982814 0.81 SYK (0.50) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15212553 0.81 CDK2 (0.63) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15212574 0.77 SYK (0.58) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15210580 0.76 CDK1 (0.65) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15210725 0.75 SYK (0.56) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15210540 0.74 SYK (0.56) SYKEIF2AK4CDK2CDK5CDK5R1
SCHEMBL15212575 0.74 SYK (0.57) SYKEIF2AK4CDK2CDK5CDK5R1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817310-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4]TRIAZOLO [1, 5 -A]PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS Merck Patent GmbH (DE) 2014-12-31 EP disclosed
WO-2013124026-A1 8 - SUBSTITUTED 2 -AMINO - [1,2,4] TRIAZOLO [1, 5 -A] PYRAZINES AS SYK TRYROSINE KINASE INHIBITORS AND GCN2 SERIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-08-29 WO disclosed